methyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate

C19H20O4 — CID 141326808

IUPACmethyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate
SMILESC/C=C(\c1ccccc1)c1cc(OC)cc(OC)c1C(=O)OC
InChIInChI=1S/C19H20O4/c1-5-15(13-9-7-6-8-10-13)16-11-14(21-2)12-17(22-3)18(16)19(20)23-4/h5-12H,1-4H3/b15-5+
InChIKeyYFWOHLYLBVHFMB-PJQLUOCWSA-N
MW312.37 g/mol
LogP3.94
Rot. Bonds5

About methyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate

methyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate (PubChem CID 141326808) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate.

Molecular Properties

Compound Namemethyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate
PubChem CID141326808
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Namemethyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate
SMILESC/C=C(\c1ccccc1)c1cc(OC)cc(OC)c1C(=O)OC
InChIInChI=1S/C19H20O4/c1-5-15(13-9-7-6-8-10-13)16-11-14(21-2)12-17(22-3)18(16)19(20)23-4/h5-12H,1-4H3/b15-5+
InChIKeyYFWOHLYLBVHFMB-PJQLUOCWSA-N
XLogP3.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate
CID 141326793
1,4-dimethoxy-2-[(E)-1-phenylprop-1-enyl]benzene
CID 102370228
1,4-dimethoxy-2-[(Z)-1-phenylprop-1-enyl]benzene
CID 102082357
methyl 2,4-dimethoxy-6-phenacylbenzoate
CID 10358262
(2-benzoyl-4,6-dimethoxyphenyl) benzoate
CID 141250031
methyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate
CID 71626584
methyl 3,5-dimethoxy-2-propanoylbenzoate
CID 6710788
methyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate
CID 141364342
methyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate
CID 10760652
3-[(E)-3-oxo-3-(2,4,6-trimethoxyphenyl)prop-1-enyl]benzoic acid
CID 10405090
1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene
CID 59021042
[3,5-dimethoxy-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl] benzoate
CID 20542196

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate?
The IUPAC name of methyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate (CID 141326808) is methyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate.
What is the SMILES notation for methyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate?
The canonical SMILES for methyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate is C/C=C(\c1ccccc1)c1cc(OC)cc(OC)c1C(=O)OC.
What is the InChIKey of methyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate?
The InChIKey is YFWOHLYLBVHFMB-PJQLUOCWSA-N. The full InChI is InChI=1S/C19H20O4/c1-5-15(13-9-7-6-8-10-13)16-11-14(21-2)12-17(22-3)18(16)19(20)23-4/h5-12H,1-4H3/b15-5+.
What are the key properties of methyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate?
methyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate has a molecular weight of 312.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate is sourced from PubChem (CID 141326808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).